UCSF

ZINC00058459

Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 19 Yes

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.92 5.11 -30.84 4 5 1 74 256.285 2
Hi High (pH 8-9.5) 1.92 4.7 -13.37 3 5 0 73 255.277 2

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )